pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.84000015258789	QSARToolbox	1	0	Cc1ccc(S(=O)(=O)OCC23CC[NH+](CC2)CC3)cc1	Cc1ccc(S(=O)(=O)OCC23CCN(CC2)CC3)cc1	mol24681	Cc1ccc(S(=O)(=O)OCC23CCN(CC2)CC3)cc1
10.01	AttenGpKa training set	1	0	Cc1ccc(S(=O)(=O)OCC23CC[NH+](CC2)CC3)cc1	Cc1ccc(S(=O)(=O)OCC23CCN(CC2)CC3)cc1	mol24681	Cc1ccc(S(=O)(=O)OCC23CCN(CC2)CC3)cc1